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| author | Thierry Thomas <thierry@FreeBSD.org> | 2022-10-24 16:22:19 +0000 |
|---|---|---|
| committer | Thierry Thomas <thierry@FreeBSD.org> | 2022-10-26 17:58:26 +0000 |
| commit | fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe (patch) | |
| tree | a5735760e124fce1952d81f54fc89c1f067ad8a3 | |
| parent | 33f3c23490c31d982bf5c7d9a4c381e14510f5a1 (diff) | |
| download | ports-fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe.tar.gz ports-fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe.zip | |
science/erkale: chase libXC 6.0.0
Patch from
<https://github.com/susilehtola/erkale/commit/d507f5c0aa10614f00b1fa77ddb944490a5a7706>.
PR: 267358
Approved by: yuri (maintainer)
| -rw-r--r-- | science/erkale/Makefile | 2 | ||||
| -rw-r--r-- | science/erkale/files/patch-src_dftfuncs.cpp | 38 |
2 files changed, 39 insertions, 1 deletions
diff --git a/science/erkale/Makefile b/science/erkale/Makefile index 776388757f96..5a47285ac273 100644 --- a/science/erkale/Makefile +++ b/science/erkale/Makefile @@ -1,6 +1,6 @@ PORTNAME= erkale DISTVERSION= g20220405 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/erkale/files/patch-src_dftfuncs.cpp b/science/erkale/files/patch-src_dftfuncs.cpp new file mode 100644 index 000000000000..7961ddc433b2 --- /dev/null +++ b/science/erkale/files/patch-src_dftfuncs.cpp @@ -0,0 +1,38 @@ +--- src/dftfuncs.cpp.orig 2022-04-05 18:34:51 UTC ++++ src/dftfuncs.cpp +@@ -434,7 +434,7 @@ double exact_exchange(int func_id) { + } + + +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + switch(xc_hyb_type(&func)) { + case(XC_HYB_HYBRID): + f=xc_hyb_exx_coef(&func); +@@ -480,7 +480,7 @@ bool is_supported(int func_id) { + throw std::runtime_error(oss.str()); + } + // Get flag +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + switch(xc_hyb_type(&func)) { + case(XC_HYB_SEMILOCAL): + case(XC_HYB_HYBRID): +@@ -514,7 +514,7 @@ bool is_range_separated(int func_id, bool check) { + oss << "Functional "<<func_id<<" not found!"; + throw std::runtime_error(oss.str()); + } +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + ans=(xc_hyb_type(&func) == XC_HYB_CAM); + #else + // Get flag +@@ -571,7 +571,7 @@ void range_separation(int func_id, double & omega, dou + xc_func_set_ext_params(&func, pars.memptr()); + } + +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + switch(xc_hyb_type(&func)) { + case(XC_HYB_HYBRID): + case(XC_HYB_CAM): |